UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl-[(5S,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]BLAH methyl-[(5S,7S)-5-methyl-7-(trif…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 8.16 -16.79 1 9 0 91 377.334 2 ↓
Lo Low (pH 4.5-6) 1.52 8.5 -56.19 2 9 1 95 378.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(5R,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]BLAH methyl-[(5R,7S)-5-methyl-7-(trif…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 7.93 -17.48 1 9 0 91 377.334 2 ↓
Lo Low (pH 4.5-6) 1.52 8.23 -59.05 2 9 1 95 378.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(5S,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]BLAH methyl-[(5S,7R)-5-methyl-7-(trif…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 7.93 -17.47 1 9 0 91 377.334 2 ↓
Ref Reference (pH 7) 1.70 8.36 -33.49 2 9 1 96 378.342 2 ↓
Lo Low (pH 4.5-6) 1.52 8.23 -59 2 9 1 95 378.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]BLAH methyl-[(5R,7R)-5-methyl-7-(trif…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 8.16 -16.77 1 9 0 91 377.334 2 ↓
Lo Low (pH 4.5-6) 1.52 8.5 -56.22 2 9 1 95 378.342 2 ↓

Analogs

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Popular Name: methyl-[(5S,7S)-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2 methyl-[(5S,7S)-5-methyl-7-(1,1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 8.9 -16.33 1 9 0 91 427.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(5R,7S)-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2 methyl-[(5R,7S)-5-methyl-7-(1,1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 8.65 -17.15 1 9 0 91 427.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(5S,7R)-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2 methyl-[(5S,7R)-5-methyl-7-(1,1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 8.67 -17.15 1 9 0 91 427.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[(5R,7R)-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2 methyl-[(5R,7R)-5-methyl-7-(1,1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 8.88 -16.38 1 9 0 91 427.341 3 ↓

Parameters Provided:

ring.id = 242258
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 242258 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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